Geometry & MOs

Info

ID:

427767

PubChem CID:

135162353

Reduced:

FPN8C31H40 (1)

Stoich.:

ABC8D31E40 (1)

Weight, g/mol:

461.270322

ΔHf, kcal/mol:

36.88

Dipole, Da:

7.24

IP(EA), eV:

 -8.54(-0.66)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

N-[5-fluoro-4-[(E,1E)-1-(2-methyl-5-methylidene-3-propan-2-ylimidazol-4-ylidene)but-2-en-2-yl]pyridin-2-yl]-5-(pyrrolidin-1-ylmethyl)pyrimidin-2-amine

Drug info:

PubChemData

Smile

CC1=NC2=C(N1C(C)C)C=C(C=C2F)C3=CC(=NC=C3P)NC4=NC=C(C=N4)CN5CCC6(CCN(CC6)C)CC5

DOS

IR

Vibrations